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- W2899433658 abstract "The theories of Brownian motion, the Debye rotational diffusion model, and hydrodynamics together provide us with the Stokes--Einstein--Debye (SED) relation between the rotational relaxation time of the $ell$-th degree Legendre polynomials $tau_ell$, and viscosity divided by temperature, $eta/T$. Experiments on supercooled liquids are frequently performed to measure the SED relations, $tau_{ell}k_{rm B}T/eta$ and $D_{rm t}tau_{ell}$, where $D_{rm t}$ is the translational diffusion constant. However, the SED relations break down, and its molecular origin remains elusive. Here, we assess the validity of the SED relations in TIP4P/2005 supercooled water using molecular dynamics simulations. Specifically, we demonstrate that the higher-order $tau_ell$ values exhibit a temperature dependence similar to that of $eta/T$, whereas the lowest-order $tau_ell$ values are decoupled with $eta/T$, but are coupled with the translational diffusion constant. We reveal that the SED relations are so spurious that they significantly depend on the degree of Legendre polynomials." @default.
- W2899433658 created "2018-11-09" @default.
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- W2899433658 date "2018-11-01" @default.
- W2899433658 modified "2023-09-23" @default.
- W2899433658 title "Resolving spurious violation of the Stokes-Einstein-Debye relation in supercooled water" @default.
- W2899433658 hasPublicationYear "2018" @default.
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